Sodium 3-(10H-phenothiazin-10-yl)propane-1-sulfonate

C₁₅H₁₄NNaO₃S₂CAS 101199-38-6343.39 g/mol

Open in Covalent MOL file

Sulfide Sulfonic acid Tertiary amine

Properties

Molecular formula: C₁₅H₁₄NNaO₃S₂
Molar mass: 343.39 g/mol
Exact mass: 343.0313 Da
logP: 0.23Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Identifiers

CAS number

101199-38-6

SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-].[Na+]

InChIKey

VKGYKXFNSKEHED-UHFFFAOYSA-M

InChI

InChI=1S/C15H15NO3S2.Na/c17-21(18,19)11-5-10-16-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)16;/h1-4,6-9H,5,10-11H2,(H,17,18,19);/q;+1/p-1

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Names and synonyms

1 names

Ptz-343

Work with Sodium 3-(10H-phenothiazin-10-yl)propane-1-sulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Promazine hydrochloride53-60-146 % similar Disodium butane-1,4-disulfonate36589-61-443 % similar 3-(N-Morpholino)propanesulfonic acid sodium salt71119-22-742 % similar Bis(sodium sulfopropyl) disulfide27206-35-541 % similar Sodium 3-(2-benzothiazolylthio)-1-propanesulfonate49625-94-741 % similar N-(1-Naphthyl)-3-aminopropanesulfonic acid sodium salt104484-71-140 % similar Sodium pipesate76836-02-739 % similar Sodium 3-mercapto-1-propanesulfonate17636-10-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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